UCSF

ZINC18190023

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 12 No

Popular Name: 2-Amino-6-hydroxy-8-mercaptopurine 2-Amino-6-hydroxy-8-mercaptopurine

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CAS Numbers: 28128-40-7 , 6324-72-7 , [6324-72-7]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.94 1.83 -55.86 6 6 1 105 184.204 0 ↓
Ref Reference (pH 7) -0.94 1.33 -16.73 5 6 0 103 183.196 0 ↓
Mid Mid (pH 6-8) -1.77 -0.32 -12.61 3 6 0 103 181.18 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )